4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide

C19H27N3O2S — CID 113029789

IUPAC4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-6-22(7-2)16-10-13-18(20-14-16)21-25(23,24)17-11-8-15(9-12-17)19(3,4)5/h8-14H,6-7H2,1-5H3,(H,20,21)
InChIKeyTZZYQEVHMBWXQW-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.03
Rot. Bonds6

About 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113029789) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113029789
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-6-22(7-2)16-10-13-18(20-14-16)21-25(23,24)17-11-8-15(9-12-17)19(3,4)5/h8-14H,6-7H2,1-5H3,(H,20,21)
InChIKeyTZZYQEVHMBWXQW-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
N-[4-[[5-(dipropylamino)-2-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113030987
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
CID 113029784
N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113030968
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 112773266

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide (CID 113029789) is 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is TZZYQEVHMBWXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-6-22(7-2)16-10-13-18(20-14-16)21-25(23,24)17-11-8-15(9-12-17)19(3,4)5/h8-14H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113029789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).